SCHEMBL696412

SCHEMBL696412

O=c1c(F)c2c(c3n1CCC3)n(S(=O)(=O)C1CC1)c(=O)n2-c1ccc(Br)cc1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.33
CCR1 P32246 3/20 0.32
CCR2 P41597 3/20 0.32
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAOB P27338 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL696579 0.91 RXFP1 (0.34) RXFP1CCR1CCR2ALOX15TSHR
SCHEMBL698378 0.86 CCR1 (0.32) RXFP1CCR1CCR2ALOX15TSHR
SCHEMBL13148379 0.82 RXFP1 (0.36) RXFP1CCR1CCR2MAOBPDE3B
SCHEMBL13148515 0.81 MAP2K1 (0.30)
SCHEMBL693627 0.80 MAOB (0.30) MAOB
SCHEMBL13628793 0.79 MAPT (0.35) RXFP1MAOBPDE3BPDE3A
SCHEMBL13613839 0.78 RXFP1 (0.35) RXFP1ALOX15TSHRMAOBPDE3B
SCHEMBL711027 0.74 USP30 (0.35) RXFP1CCR1CCR2PDE3BPDE3A
SCHEMBL692885 0.74 RXFP1 (0.35) RXFP1CCR1CCR2ALOX15TSHR
SCHEMBL693391 0.74 MEN1 (0.35) RXFP1CCR1CCR2MAOBPDE3B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421612-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS Novartis AG (CH) 2012-02-29 EP disclosed
WO-2010121646-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS NOVARTIS AG (CH) 2010-10-28 WO disclosed
WO-2010121646-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS NOVARTIS AG (CH) 2010-10-28 WO disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 US disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 US disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NRAS, BRAF, MAP3K1 RXFP1 4597/4885CCR1 970/4885CCR2 704/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.